3-[2-(4-methoxypiperidin-1-yl)ethyl]-1,2-benzoxazole

C15H20N2O2 — CID 22989642

IUPAC3-[2-(4-methoxypiperidin-1-yl)ethyl]-1,2-benzoxazole
SMILESCOC1CCN(CCc2noc3ccccc23)CC1
InChIInChI=1S/C15H20N2O2/c1-18-12-6-9-17(10-7-12)11-8-14-13-4-2-3-5-15(13)19-16-14/h2-5,12H,6-11H2,1H3
InChIKeyCUEZKJCUHNJAHH-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.48
Rot. Bonds4

About 3-[2-(4-methoxypiperidin-1-yl)ethyl]-1,2-benzoxazole

3-[2-(4-methoxypiperidin-1-yl)ethyl]-1,2-benzoxazole (PubChem CID 22989642) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-[2-(4-methoxypiperidin-1-yl)ethyl]-1,2-benzoxazole.

Molecular Properties

Compound Name3-[2-(4-methoxypiperidin-1-yl)ethyl]-1,2-benzoxazole
PubChem CID22989642
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-[2-(4-methoxypiperidin-1-yl)ethyl]-1,2-benzoxazole
SMILESCOC1CCN(CCc2noc3ccccc23)CC1
InChIInChI=1S/C15H20N2O2/c1-18-12-6-9-17(10-7-12)11-8-14-13-4-2-3-5-15(13)19-16-14/h2-5,12H,6-11H2,1H3
InChIKeyCUEZKJCUHNJAHH-UHFFFAOYSA-N
XLogP2.48
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(4-benzylpiperazin-1-yl)ethyl]-1,2-benzoxazole
CID 18377472
(Z)-4-(1-benzylpiperidin-4-yl)oxy-4-oxobut-2-enoic acid;3-propyl-1,2-benzoxazole
CID 67627939
3-[2-[(10R,15S)-1,4-dimethyl-4,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-12-yl]ethyl]-1,2-benzoxazole
CID 178095503
3-[2-(10-methyl-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8-trien-12-yl)ethyl]-1,2-benzoxazole
CID 178095523
3-(methoxymethyl)-1,2-benzoxazole
CID 119083448
3-[[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methyl]-1,2-benzoxazole
CID 171326546
(1-methylpiperidin-3-yl) 2-(1,2-benzoxazol-3-yl)acetate
CID 13247709
3-[3-[4-(1,2-benzothiazol-3-yl)piperidin-1-yl]propyl]-6-methoxy-1,2-benzoxazole
CID 118451745
4-methoxy-1-[2-(2-phenylethoxy)ethyl]piperidine
CID 141183268
3-[(3-fluoroazetidin-1-yl)methyl]-1,2-benzoxazole
CID 171326457
3-[[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methyl]-1,2-benzoxazole
CID 171997360
N-(1,2-benzoxazol-3-ylmethyl)-N-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
CID 171328942

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxypiperidin-1-yl)ethyl]-1,2-benzoxazole?
The IUPAC name of 3-[2-(4-methoxypiperidin-1-yl)ethyl]-1,2-benzoxazole (CID 22989642) is 3-[2-(4-methoxypiperidin-1-yl)ethyl]-1,2-benzoxazole.
What is the SMILES notation for 3-[2-(4-methoxypiperidin-1-yl)ethyl]-1,2-benzoxazole?
The canonical SMILES for 3-[2-(4-methoxypiperidin-1-yl)ethyl]-1,2-benzoxazole is COC1CCN(CCc2noc3ccccc23)CC1.
What is the InChIKey of 3-[2-(4-methoxypiperidin-1-yl)ethyl]-1,2-benzoxazole?
The InChIKey is CUEZKJCUHNJAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-18-12-6-9-17(10-7-12)11-8-14-13-4-2-3-5-15(13)19-16-14/h2-5,12H,6-11H2,1H3.
What are the key properties of 3-[2-(4-methoxypiperidin-1-yl)ethyl]-1,2-benzoxazole?
3-[2-(4-methoxypiperidin-1-yl)ethyl]-1,2-benzoxazole has a molecular weight of 260.34 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxypiperidin-1-yl)ethyl]-1,2-benzoxazole is sourced from PubChem (CID 22989642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).